engleski

Vibrational spectroscopic study of poly(dimethylsiloxane)-ZnO nanocomposites

A series of poly(dimethylsiloxane)-zinc oxide (PDMS-ZnO) nanocomposites having different concentra-tions of ZnO nanoparticles (0, 1, 5, 10 and 20 wt%) have been prepared. Raman and FTIR-ATR spectroscopicanalysis was performed in order to determine the interaction between the ZnO nanoparticles and PDMSpolymer matrix. Density functional theory (DFT) using the (B3-LYP)/6- 311++G(2df, 2p) method was usedto investigate the vibrational spectra of PDMS. A complete vibrational assignment is supported by thenormal coordinate analysis, calculated Raman activities as well as IR intensities.The presence of ZnO nanoparticles in PDMS gives rise to significant differences in relative intensitiesof the characteristic vibrational bands with respect to the cross-linked polymer. The changes in rela-tive intensities of Raman bands, as well as swelling measurements, were used to explain the effect ofZnO nanoparticles on the cross-linked structure of PDMS nanocomposites. It is established that ZnOnanoparticles influence the cross-linking density of the polymer matrix.

poly(dimethylsiloxane); ZnO nanoparticles; nanocomposite; DFT; cross-linking

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